3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol

C13H17ClN6O — CID 102865831

IUPAC3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESOCCCN(c1nc(Cl)nc(-n2cccn2)n1)C1CCC1
InChIInChI=1S/C13H17ClN6O/c14-11-16-12(18-13(17-11)20-8-2-6-15-20)19(7-3-9-21)10-4-1-5-10/h2,6,8,10,21H,1,3-5,7,9H2
InChIKeyRTEWDYTVVFIIAE-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.45
Rot. Bonds6

About 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol

3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102865831) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
PubChem CID102865831
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESOCCCN(c1nc(Cl)nc(-n2cccn2)n1)C1CCC1
InChIInChI=1S/C13H17ClN6O/c14-11-16-12(18-13(17-11)20-8-2-6-15-20)19(7-3-9-21)10-4-1-5-10/h2,6,8,10,21H,1,3-5,7,9H2
InChIKeyRTEWDYTVVFIIAE-UHFFFAOYSA-N
XLogP1.45
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol (CID 102865831) is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol is OCCCN(c1nc(Cl)nc(-n2cccn2)n1)C1CCC1.
What is the InChIKey of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is RTEWDYTVVFIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c14-11-16-12(18-13(17-11)20-8-2-6-15-20)19(7-3-9-21)10-4-1-5-10/h2,6,8,10,21H,1,3-5,7,9H2.
What are the key properties of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 308.77 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102865831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).